SCHEMBL6748504

SCHEMBL6748504

COc1ccc(-c2nn(C3CCC3)c(-c3ccc(OC)cc3)c2-c2cc(OCCC3CCCCN3)ccc2C(=O)c2ccc(OCCC3CCCCN3)cc2-c2c(-c3ccc(OC)cc3)nn(C3CCC3)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.40
CMKLR1 Q99788 4/20 0.39
MERTK Q12866 1/20 0.37
CHEK1 O14757 1/20 0.36
SSTR2 P30874 7/20 0.35
AURKB Q96GD4 1/20 0.34
ITK Q08881 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
BTK Q06187 1/20 0.33
ADORA1 P30542 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5219067 0.83 CHEK2 (0.46) CHEK2CMKLR1MERTKSSTR2BTK
SCHEMBL5216967 0.76 CHEK2 (0.46) CHEK2CMKLR1CHEK1SSTR2
SCHEMBL7662650 0.74 CHEK2 (0.42) CHEK2CHEK1SSTR2AURKB
SCHEMBL19297780 0.71 CHEK2 (0.42) CHEK2CHEK1AURKB
SCHEMBL6945304 0.70 CHEK2 (0.49) CHEK2SSTR2AURKB
SCHEMBL11449154 0.69 LTA4H (0.50) CHEK2
SCHEMBL5729040 0.68 CHEK2 (0.48) CHEK2MERTKCHEK1SSTR2
SCHEMBL6394083 0.67 PTGS2 (0.47) CHEK2MERTKCHEK1
SCHEMBL5729300 0.67 PTGS2 (0.47) CHEK2MERTKCHEK1
SCHEMBL5219061 0.66 ESR1 (0.54)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 CHEK2 1088/4885CMKLR1 1096/4885MERTK 1058/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CHEK2 1088/4885CMKLR1 1096/4885MERTK 1058/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.